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Information card for entry 1503407
Preview
| Coordinates | 1503407.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H35 I O2 Si2 |
|---|---|
| Calculated formula | C19 H35 I O2 Si2 |
| SMILES | I[C@@H]1[C@@H]([C@@H](O[Si](C)(C)C(C)(C)C)CCC1=O)CCC#C[Si](C)(C)C |
| Title of publication | Enantioselective total synthesis of otteliones A and B. |
| Authors of publication | Chen, Cheng-Hui; Chen, Yu-Kai; Sha, Chin-Kang |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 7 |
| Pages of publication | 1377 - 1379 |
| a | 8.6362 ± 0.0002 Å |
| b | 9.5751 ± 0.0002 Å |
| c | 30.8559 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2551.55 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0197 |
| Residual factor for significantly intense reflections | 0.0178 |
| Weighted residual factors for significantly intense reflections | 0.0478 |
| Weighted residual factors for all reflections included in the refinement | 0.0579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.193 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1503407.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
1503407.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503407.cif |
| 37280 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503407 via cif-deposit CGI script. |
1503407.cif |
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Users of the data should acknowledge the original authors of the
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